(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol

C9H10F3NO — CID 130642630

IUPAC(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
SMILESN[C@H](c1cccc(F)c1)C(F)(F)CO
InChIInChI=1S/C9H10F3NO/c10-7-3-1-2-6(4-7)8(13)9(11,12)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1
InChIKeyVBHKFNNLTLLOBI-MRVPVSSYSA-N
MW205.18 g/mol
LogP1.45
Rot. Bonds3

About (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol

(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol (PubChem CID 130642630) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
PubChem CID130642630
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
SMILESN[C@H](c1cccc(F)c1)C(F)(F)CO
InChIInChI=1S/C9H10F3NO/c10-7-3-1-2-6(4-7)8(13)9(11,12)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1
InChIKeyVBHKFNNLTLLOBI-MRVPVSSYSA-N
XLogP1.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(3-phenylphenyl)propan-1-ol
CID 171244503
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171241497
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240971
1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131266456
(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131518371
(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241028
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol;hydrochloride
CID 171248283
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol (CID 130642630) is (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol is N[C@H](c1cccc(F)c1)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol?
The InChIKey is VBHKFNNLTLLOBI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-7-3-1-2-6(4-7)8(13)9(11,12)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol has a molecular weight of 205.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 130642630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).